CID 13381915

4-(pyrrolidin-1-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H15N3
SMILES
C1CCN(C1)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C10H15N3/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6,11-12H2
InChIKey
ZUVKDZFDEROKCL-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.1266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.13388 138.1
[M+Na]+ 200.11582 144.5
[M-H]- 176.11932 142.6
[M+NH4]+ 195.16042 157.6
[M+K]+ 216.08976 141.2
[M+H-H2O]+ 160.12386 130.7
[M+HCOO]- 222.12480 161.3
[M+CH3COO]- 236.14045 183.9
[M+Na-2H]- 198.10127 141.3
[M]+ 177.12605 131.6
[M]- 177.12715 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe